1-(2-ethylsulfinylethyl)pyrrolidine

C8H17NOS — CID 90046014

IUPAC1-(2-ethylsulfinylethyl)pyrrolidine
SMILESCCS(=O)CCN1CCCC1
InChIInChI=1S/C8H17NOS/c1-2-11(10)8-7-9-5-3-4-6-9/h2-8H2,1H3
InChIKeyWZERNLVNHHIIFP-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds4

About 1-(2-ethylsulfinylethyl)pyrrolidine

1-(2-ethylsulfinylethyl)pyrrolidine (PubChem CID 90046014) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-(2-ethylsulfinylethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-ethylsulfinylethyl)pyrrolidine
PubChem CID90046014
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-(2-ethylsulfinylethyl)pyrrolidine
SMILESCCS(=O)CCN1CCCC1
InChIInChI=1S/C8H17NOS/c1-2-11(10)8-7-9-5-3-4-6-9/h2-8H2,1H3
InChIKeyWZERNLVNHHIIFP-UHFFFAOYSA-N
XLogP0.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfinylethyl)pyrrolidine?
The IUPAC name of 1-(2-ethylsulfinylethyl)pyrrolidine (CID 90046014) is 1-(2-ethylsulfinylethyl)pyrrolidine.
What is the SMILES notation for 1-(2-ethylsulfinylethyl)pyrrolidine?
The canonical SMILES for 1-(2-ethylsulfinylethyl)pyrrolidine is CCS(=O)CCN1CCCC1.
What is the InChIKey of 1-(2-ethylsulfinylethyl)pyrrolidine?
The InChIKey is WZERNLVNHHIIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-2-11(10)8-7-9-5-3-4-6-9/h2-8H2,1H3.
What are the key properties of 1-(2-ethylsulfinylethyl)pyrrolidine?
1-(2-ethylsulfinylethyl)pyrrolidine has a molecular weight of 175.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfinylethyl)pyrrolidine is sourced from PubChem (CID 90046014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).